(1R,9R)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-triene

• ChemBase ID: 128319
• Molecular Formular: C18H25NO
• Molecular Mass: 271.3972
• Monoisotopic Mass: 271.19361443
• SMILES: COc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3C)c2c1
• Canonical SMILES: COc1ccc2c(c1)[C@]13CCCCC3[C@@H](C2)N(CC1)C
• InChI: InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15?,17-,18-/m1/s1
• InChIKey: MKXZASYAUGDDCJ-HSFDIDPMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,9R)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.0^1,^1^0.0^2,^7]heptadeca-2,4,6-triene
• IUPAC Traditional name: methorphan
• Synonyms: Methorphan

Database IDs

• CAS Number: 6031-86-3
• PubChem SID: 162222627
• PubChem CID: 5359423
• CHEMBL: 282713
• Chemspider ID: 16736909
• Unique Ingredient Identifier: 8YB8F78WM1
• Wikipedia Title: Methorphan

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.050376788
• LogD (pH = 7.4): 1.0825826
• Log P: 3.4937744
• Molar Refractivity: 82.5632 cm^3
• Polarizability: 32.306057 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true